N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide (CHEBI:111722)

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CHEBI:111722 - N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide

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ChEBI ID	CHEBI:111722
ChEBI Name	N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
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Downloads	Molfile

Formula	C30H33F3N4O4
Net Charge	0
Average Mass	570.612
Monoisotopic Mass	570.24539
SMILES	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O
InChI	InChI=1S/C30H33F3N4O4/c1-19-15-37(20(2)18-38)29(40)24-5-4-6-25(35-28(39)22-11-13-34-14-12-22)27(24)41-26(19)17-36(3)16-21-7-9-23(10-8-21)30(31,32)33/h4-14,19-20,26,38H,15-18H2,1-3H3,(H,35,39)/t19-,20+,26+/m0/s1
InChIKey	KEFKPOALKIRQIF-OUDXUNEISA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide (CHEBI:111722) is a (trifluoromethyl)benzenes (CHEBI:83565)

Manual Xrefs	Databases
LSM-23136	LINCS